3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide

C12H23N5O3S — CID 106075859

IUPAC3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide
SMILESCNCCn1nc(C)c(S(=O)(=O)NN2CCOCC2)c1C
InChIInChI=1S/C12H23N5O3S/c1-10-12(11(2)17(14-10)5-4-13-3)21(18,19)15-16-6-8-20-9-7-16/h13,15H,4-9H2,1-3H3
InChIKeyYKCUDYWLMRFPCF-UHFFFAOYSA-N
MW317.42 g/mol
LogP-0.76
Rot. Bonds6

About 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide

3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide (PubChem CID 106075859) has the molecular formula C12H23N5O3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide
PubChem CID106075859
Molecular FormulaC12H23N5O3S
Molecular Weight317.42 g/mol
Exact Mass317.15
IUPAC Name3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide
SMILESCNCCn1nc(C)c(S(=O)(=O)NN2CCOCC2)c1C
InChIInChI=1S/C12H23N5O3S/c1-10-12(11(2)17(14-10)5-4-13-3)21(18,19)15-16-6-8-20-9-7-16/h13,15H,4-9H2,1-3H3
InChIKeyYKCUDYWLMRFPCF-UHFFFAOYSA-N
XLogP-0.76
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N',N',3,5-tetramethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonohydrazide
CID 114141849
N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114267232
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide
CID 106032215
N-(cyclobutylmethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106024922
N-(1-cyclopropylpropan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106065859
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106083978
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide
CID 106081577
N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106067618
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106051653
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
3-[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-methylpropan-1-amine
CID 114414060
5-methyl-N-morpholin-4-yl-3-(propylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106075897

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide (CID 106075859) is 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide is CNCCn1nc(C)c(S(=O)(=O)NN2CCOCC2)c1C.
What is the InChIKey of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide?
The InChIKey is YKCUDYWLMRFPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3S/c1-10-12(11(2)17(14-10)5-4-13-3)21(18,19)15-16-6-8-20-9-7-16/h13,15H,4-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide?
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide has a molecular weight of 317.42 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 106075859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).